5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one

C12H13NO2 — CID 154243621

IUPAC5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one
SMILESCCc1on(-c2ccccc2)c(=O)c1C
InChIInChI=1S/C12H13NO2/c1-3-11-9(2)12(14)13(15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyIABVWQPPXNDWIZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.30
Rot. Bonds2

About 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one

5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one (PubChem CID 154243621) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one
PubChem CID154243621
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one
SMILESCCc1on(-c2ccccc2)c(=O)c1C
InChIInChI=1S/C12H13NO2/c1-3-11-9(2)12(14)13(15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyIABVWQPPXNDWIZ-UHFFFAOYSA-N
XLogP2.30
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one?
The IUPAC name of 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one (CID 154243621) is 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one?
The canonical SMILES for 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one is CCc1on(-c2ccccc2)c(=O)c1C.
What is the InChIKey of 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one?
The InChIKey is IABVWQPPXNDWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-11-9(2)12(14)13(15-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one?
5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one has a molecular weight of 203.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-phenyl-1,2-oxazol-3-one is sourced from PubChem (CID 154243621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).